PDB: 92638 resultsInfo pagesStatus searchChemie searchBIRD

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8EVV	Apo form of DdlA from Pseudomonas aeruginosa PAO1 Descriptor: D-alanine--D-alanine ligase A Authors: Pederick, J.L, Woolman, J.C, Bruning, J.B. Deposit date: 2022-10-21 Release date: 2023-08-30 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
1NHB	Specificity of ligand binding in a buried non-polar cavity of t4 lysozyme: linkage of dynamics and structural plasticity Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PHENYLETHANE, ... Authors: Morton, A, Matthews, B.W. Deposit date: 1995-02-24 Release date: 1995-07-10 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity. Biochemistry, 34, 1995
2D3T	Fatty Acid beta-oxidation multienzyme complex from Pseudomonas Fragi, Form V Descriptor: 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, Fatty oxidation complex alpha subunit, ... Authors: Tsuchiya, D, Shimizu, N, Ishikawa, M, Suzuki, Y, Morikawa, K. Deposit date: 2005-10-01 Release date: 2006-02-21 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Ligand-Induced Domain Rearrangement of Fatty Acid beta-Oxidation Multienzyme Complex Structure, 14, 2006
4NVJ	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.813 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVF	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4OQ7	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2014-02-07 Release date: 2014-02-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
5OWD	Vitamin D receptor complex Descriptor: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A Authors: Rochel, N, Li, W. Deposit date: 2017-08-31 Release date: 2018-02-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.151 Å) Cite: Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
4C9U	Xenopus ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 crystal form II Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2 Authors: Zebisch, M, Jones, E.Y. Deposit date: 2013-10-03 Release date: 2013-11-20 Last modified: 2013-11-27 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013
4C9E	Mouse ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 (Seleno Met) crystal form II Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2 Authors: Zebisch, M, Jones, E.Y. Deposit date: 2013-10-02 Release date: 2013-11-20 Last modified: 2013-11-27 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013
7B5R	Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27 Descriptor: Cullin-1, Cyclin-A2, Cyclin-dependent kinase 2, ... Authors: Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. Deposit date: 2020-12-07 Release date: 2021-02-10 Last modified: 2021-03-10 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
5OW7	VDR complex Descriptor: (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide, Nuclear receptor coactivator 1, Vitamin D3 receptor A Authors: Rochel, N, Li, W. Deposit date: 2017-08-31 Release date: 2018-02-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
5OW9	Vitamin D receptor complex Descriptor: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A Authors: Rochel, N, Li, W. Deposit date: 2017-08-31 Release date: 2018-02-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.403 Å) Cite: Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
1S56	Crystal Structure of "Truncated" Hemoglobin N (HbN) from Mycobacterium tuberculosis, Soaked with Xe Atoms Descriptor: CYANIDE ION, HEME C, Hemoglobin-like protein HbN, ... Authors: Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M. Deposit date: 2004-01-20 Release date: 2004-06-29 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Heme-ligand tunneling in group I truncated hemoglobins J.Biol.Chem., 279, 2004
3T5A	Crystal structure of N-terminal domain of FAAL28 G330W mutant from Mycobacterium tuberculosis Descriptor: Long-chain-fatty-acid--AMP ligase FadD28 Authors: Goyal, A, Sankaranarayanan, R. Deposit date: 2011-07-27 Release date: 2012-01-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Molecular basis of the functional divergence of fatty acyl-AMP ligase biosynthetic enzymes of Mycobacterium tuberculosis. J.Mol.Biol., 416, 2012
3T5B	Crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis Descriptor: PROBABLE CHAIN-FATTY-ACID-CoA LIGASE FADD13 Authors: Goyal, A, Sankaranarayanan, R. Deposit date: 2011-07-27 Release date: 2012-01-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Molecular basis of the functional divergence of fatty acyl-AMP ligase biosynthetic enzymes of Mycobacterium tuberculosis. J.Mol.Biol., 416, 2012
5UPQ	Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand Descriptor: 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ... Authors: Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) Deposit date: 2017-02-03 Release date: 2017-02-22 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
4NVB	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVM	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
1XJ3	bjFixLH in unliganded ferrous form Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL Authors: Key, J, Moffat, K. Deposit date: 2004-09-22 Release date: 2005-03-29 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling Biochemistry, 44, 2005
1S6A	The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with azide ligand Descriptor: AZIDE ION, CITRATE ANION, Cyanoglobin, ... Authors: Trent III, J.T, Kundu, S, Hoy, J.A, Hargrove, M.S. Deposit date: 2004-01-22 Release date: 2004-09-21 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Crystallographic analysis of synechocystis cyanoglobin reveals the structural changes accompanying ligand binding in a hexacoordinate hemoglobin. J.Mol.Biol., 341, 2004
3T5C	Crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis in different space group C2 Descriptor: PROBABLE CHAIN-FATTY-ACID-CoA LIGASE FADD13 Authors: Goyal, A, Sankaranarayanan, R. Deposit date: 2011-07-27 Release date: 2012-01-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Molecular basis of the functional divergence of fatty acyl-AMP ligase biosynthetic enzymes of Mycobacterium tuberculosis. J.Mol.Biol., 416, 2012
2V34	IspE in complex with cytidine and ligand Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... Authors: Sgraja, T, Alphey, M.S, Hunter, W.N. Deposit date: 2007-06-11 Release date: 2007-06-26 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
4NVC	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVD	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVI	Predicting protein conformational response in prospective ligand discovery. Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014

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